N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine Traditional Name: piperonyl(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)amine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)N=CN=C3NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)N=CN=C3NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H19N5O2/c1-2-4-15-22-16-17(20-10-21-18(16)23(15)7-3-1)19-9-12-5-6-13-14(8-12)25-11-24-13/h5-6,8,10H,1-4,7,9,11H2,(H,19,20,21)